Electronic structure, magnetic ordering and X-ray magnetic circular dichroism in La1-xPrxCo2P2 phosphides

被引：0

作者：

Bekenov, L. V. ^{[1
]}

Moklyak, S. V. ^{[1
]}

Antonov, V. N. ^{[1
]}

机构：

[1] Natl Acad Sci Ukraine, Inst Met Phys, UA-03142 Kiev, Ukraine

来源：

CONDENSED MATTER PHYSICS | 2015年 / 18卷 / 03期

关键词：

strongly correlated systems; band structure; magnetic moments; X-ray magnetic circular dichroism; MAGNETOCRYSTALLINE ANISOTROPY ENERGY; 1ST-PRINCIPLES CALCULATION; MAGNETOOPTICAL PROPERTIES; NEUTRON-DIFFRACTION; PHASE-DIAGRAM; LDA+U METHOD; IRON; FERROMAGNETISM; IMPLEMENTATION; PRCO2P2;

D O I：

10.5488/CMP.18.33701

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic structure and magnetic ordering in La1-xPrxCo2P2 (x = 0,0.25, and 1) phosphides have been studied theoretically using the fully relativistic spin-polarized Dirac linear muffin-tin orbital (LMTO) band-structure method. The X-ray absorption and X-ray magnetic circular dichroism spectra at the CoL2,3 and PrM4,5 edges have been investigated theoretically within the framework of the LSDA+U method. The core-hole effect in the final state as well as the effects of the electric quadrupole E-2 and magnetic dipole M-1 transitions have been investigated. Good agreement with experimental measurements has been found.

引用

页数：11

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